SCHEMBL27542011

SCHEMBL27542011

O=C(COc1ccccc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.67
PTPN12 Q05209 1/20 0.67
PTPN22 Q9Y2R2 1/20 0.67
KMT2A Q03164 2/20 0.66
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
BCL9 O00512 1/20 0.57
CTNNB1 P35222 1/20 0.57
PTGS2 P35354 1/20 0.57
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
PLA2G4B P0C869 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11605368 0.94 PTPN7 (0.69) PTPN7PTPN12PTPN22KMT2AALDH1A1
SCHEMBL8832017 0.87 GAA (0.66) PTPN7PTPN12PTPN22KMT2AALDH1A1
SCHEMBL7359904 0.85 GAA (0.69) PTPN7PTPN12PTPN22KMT2AALDH1A1
SCHEMBL8832170 0.84 BCL9 (0.65) PTPN7PTPN12PTPN22KMT2AALDH1A1
SCHEMBL7364945 0.84 KMT2A (0.64) PTPN7PTPN12PTPN22KMT2AALDH1A1
SCHEMBL7360665 0.84 PTPN7 (0.69) PTPN7PTPN12PTPN22KMT2AALDH1A1
SCHEMBL472034 0.83 ALOX15 (0.65) KMT2AALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL9363100 0.83 PTPN7 (0.64) PTPN7PTPN12PTPN22KMT2AALDH1A1
SCHEMBL8832495 0.83 PTPN7 (0.57) PTPN7PTPN12PTPN22KMT2AALDH1A1
SCHEMBL2577561 0.82 BCL9 (0.66) PTPN7PTPN12PTPN22KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1314906-A Salts of paroxetine SMITHKLINE BEECHAM PLC (GB) 2001-09-26 CN disclosed